Molecule

ID:129484

General Information
Structure
Molecular Formula
C₁₀H₁₁N
Molecular Mass
145.20104
Exact Mass
145.08914936
Charge
0
InChI
InChI=1S/C10H11N/c1-8-7-11(2)10-6-4-3-5-9(8)10/h3-7H,1-2H3
InChIKey
NAPPMSNSLWACIV-UHFFFAOYSA-N
Canonic Smiles
Cn1cc(c2c1cccc2)C
Isomeric Smiles
c1c2c(ccc1)c(cn2C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.8091052
LogD (pH = 7.4)
2.8091052
Log P
2.8091052
Molar Refractivity
47.0824
Polarizability
19.182543
Polar Surface Area
4.93
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation